USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 17:sc= 0.734 USER MOD Set 1.2: A 28 SER OG : rot 171:sc= 2.64 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 12 GLN :FLIP amide:sc= -0.038 F(o=-2.5!,f=-0.038) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -0.157 F(o=-0.83,f=-0.16) USER MOD Single : A 5 GLN : amide:sc= -1.98 K(o=-2,f=-6.2!) USER MOD Single : A 7 LYS NZ :NH3+ 135:sc= -0.051 (180deg=-0.26) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.425 F(o=-5.2!,f=-0.42) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0788 F(o=-1.2,f=-0.079) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0606 (180deg=-0.361) USER MOD Single : A 22 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.53) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.2) USER MOD Single : A 26 MET CE :methyl 137:sc= -0.886 (180deg=-1.59) USER MOD Single : A 33 SER OG : rot -48:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.736 2.691 2.783 1.00 0.00 N ATOM 2 CA ALA A 1 -16.745 3.404 1.487 1.00 0.00 C ATOM 3 C ALA A 1 -15.735 4.541 1.500 1.00 0.00 C ATOM 4 O ALA A 1 -15.999 5.607 2.059 1.00 0.00 O ATOM 5 CB ALA A 1 -18.139 3.935 1.187 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.431 1.918 2.759 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.788 2.300 2.957 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.983 3.354 3.546 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.464 2.702 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.131 4.458 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.843 3.104 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.443 4.625 1.975 1.00 0.00 H new ATOM 10 N SER A 2 -14.581 4.311 0.887 1.00 0.00 N ATOM 11 CA SER A 2 -13.511 5.304 0.869 1.00 0.00 C ATOM 12 C SER A 2 -12.373 4.842 -0.048 1.00 0.00 C ATOM 13 O SER A 2 -11.319 4.417 0.430 1.00 0.00 O ATOM 14 CB SER A 2 -12.975 5.534 2.295 1.00 0.00 C ATOM 15 OG SER A 2 -12.127 6.671 2.352 1.00 0.00 O ATOM 0 H SER A 2 -14.360 3.445 0.395 1.00 0.00 H new ATOM 0 HA SER A 2 -13.914 6.242 0.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.810 5.666 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.427 4.652 2.626 1.00 0.00 H new ATOM 0 HG SER A 2 -11.804 6.792 3.269 1.00 0.00 H new ATOM 21 N PRO A 3 -12.566 4.907 -1.382 1.00 0.00 N ATOM 22 CA PRO A 3 -11.531 4.511 -2.350 1.00 0.00 C ATOM 23 C PRO A 3 -10.207 5.250 -2.149 1.00 0.00 C ATOM 24 O PRO A 3 -9.141 4.736 -2.493 1.00 0.00 O ATOM 25 CB PRO A 3 -12.145 4.883 -3.704 1.00 0.00 C ATOM 26 CG PRO A 3 -13.612 4.836 -3.473 1.00 0.00 C ATOM 27 CD PRO A 3 -13.811 5.333 -2.057 1.00 0.00 C ATOM 0 HA PRO A 3 -11.278 3.455 -2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.825 5.874 -4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.843 4.182 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.143 5.464 -4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.996 3.823 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.940 6.415 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.694 4.892 -1.594 1.00 0.00 H new ATOM 35 N GLN A 4 -10.271 6.445 -1.573 1.00 0.00 N ATOM 36 CA GLN A 4 -9.077 7.262 -1.390 1.00 0.00 C ATOM 37 C GLN A 4 -8.160 6.672 -0.330 1.00 0.00 C ATOM 38 O GLN A 4 -6.940 6.726 -0.463 1.00 0.00 O ATOM 39 CB GLN A 4 -9.435 8.707 -1.025 1.00 0.00 C ATOM 40 CG GLN A 4 -10.152 9.465 -2.145 1.00 0.00 C ATOM 41 CD GLN A 4 -9.338 9.542 -3.426 1.00 0.00 C ATOM 42 OE1 GLN A 4 -8.020 9.606 -3.303 1.00 0.00 O flip ATOM 43 NE2 GLN A 4 -9.895 9.555 -4.524 1.00 0.00 N flip ATOM 0 H GLN A 4 -11.132 6.868 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.548 7.268 -2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.069 8.702 -0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.523 9.243 -0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.104 8.977 -2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.380 10.475 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.912 9.504 -4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.339 9.617 -5.377 1.00 0.00 H new ATOM 52 N GLN A 5 -8.744 6.096 0.715 1.00 0.00 N ATOM 53 CA GLN A 5 -7.947 5.513 1.792 1.00 0.00 C ATOM 54 C GLN A 5 -7.176 4.302 1.278 1.00 0.00 C ATOM 55 O GLN A 5 -6.046 4.038 1.696 1.00 0.00 O ATOM 56 CB GLN A 5 -8.815 5.124 3.001 1.00 0.00 C ATOM 57 CG GLN A 5 -9.494 3.765 2.881 1.00 0.00 C ATOM 58 CD GLN A 5 -10.222 3.354 4.151 1.00 0.00 C ATOM 59 OE1 GLN A 5 -11.423 3.587 4.295 1.00 0.00 O ATOM 60 NE2 GLN A 5 -9.499 2.772 5.101 1.00 0.00 N ATOM 0 H GLN A 5 -9.753 6.020 0.841 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.240 6.271 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.192 5.127 3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.580 5.887 3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.203 3.790 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.746 3.011 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.506 2.593 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.936 2.504 5.982 1.00 0.00 H new ATOM 69 N ALA A 6 -7.793 3.577 0.356 1.00 0.00 N ATOM 70 CA ALA A 6 -7.150 2.434 -0.272 1.00 0.00 C ATOM 71 C ALA A 6 -6.071 2.900 -1.235 1.00 0.00 C ATOM 72 O ALA A 6 -4.968 2.356 -1.254 1.00 0.00 O ATOM 73 CB ALA A 6 -8.172 1.567 -0.991 1.00 0.00 C ATOM 0 H ALA A 6 -8.740 3.761 0.026 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.684 1.831 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.668 0.718 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.910 1.205 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.671 2.156 -1.761 1.00 0.00 H new ATOM 79 N LYS A 7 -6.386 3.933 -2.011 1.00 0.00 N ATOM 80 CA LYS A 7 -5.437 4.489 -2.968 1.00 0.00 C ATOM 81 C LYS A 7 -4.227 5.063 -2.235 1.00 0.00 C ATOM 82 O LYS A 7 -3.094 4.942 -2.696 1.00 0.00 O ATOM 83 CB LYS A 7 -6.109 5.571 -3.828 1.00 0.00 C ATOM 84 CG LYS A 7 -5.198 6.176 -4.887 1.00 0.00 C ATOM 85 CD LYS A 7 -4.715 5.117 -5.882 1.00 0.00 C ATOM 86 CE LYS A 7 -3.800 5.721 -6.948 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.596 6.361 -6.352 1.00 0.00 N ATOM 0 H LYS A 7 -7.292 4.402 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.099 3.690 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.982 5.140 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.469 6.367 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.731 6.962 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.339 6.643 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.182 4.331 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.575 4.649 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.489 4.941 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.355 6.460 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.752 6.084 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.702 7.395 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.491 6.052 -5.365 1.00 0.00 H new ATOM 101 N TYR A 8 -4.481 5.671 -1.080 1.00 0.00 N ATOM 102 CA TYR A 8 -3.418 6.214 -0.245 1.00 0.00 C ATOM 103 C TYR A 8 -2.517 5.088 0.257 1.00 0.00 C ATOM 104 O TYR A 8 -1.294 5.227 0.294 1.00 0.00 O ATOM 105 CB TYR A 8 -4.017 6.977 0.941 1.00 0.00 C ATOM 106 CG TYR A 8 -3.012 7.792 1.721 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.677 9.076 1.318 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.409 7.282 2.863 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.768 9.832 2.030 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.496 8.029 3.580 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.179 9.304 3.161 1.00 0.00 C ATOM 112 OH TYR A 8 -0.274 10.056 3.872 1.00 0.00 O ATOM 0 H TYR A 8 -5.419 5.800 -0.701 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.820 6.903 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.800 7.640 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.492 6.264 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.135 9.491 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.658 6.285 3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.519 10.831 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.033 7.617 4.464 1.00 0.00 H new ATOM 0 HH TYR A 8 0.047 9.540 4.641 1.00 0.00 H new ATOM 122 N CYS A 9 -3.138 3.968 0.618 1.00 0.00 N ATOM 123 CA CYS A 9 -2.408 2.810 1.126 1.00 0.00 C ATOM 124 C CYS A 9 -1.487 2.251 0.045 1.00 0.00 C ATOM 125 O CYS A 9 -0.290 2.084 0.270 1.00 0.00 O ATOM 126 CB CYS A 9 -3.384 1.724 1.618 1.00 0.00 C ATOM 127 SG CYS A 9 -2.601 0.374 2.567 1.00 0.00 S ATOM 0 H CYS A 9 -4.148 3.838 0.568 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.800 3.129 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.146 2.193 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.895 1.296 0.756 1.00 0.00 H new ATOM 132 N TYR A 10 -2.042 1.999 -1.140 1.00 0.00 N ATOM 133 CA TYR A 10 -1.265 1.444 -2.250 1.00 0.00 C ATOM 134 C TYR A 10 -0.234 2.440 -2.765 1.00 0.00 C ATOM 135 O TYR A 10 0.746 2.057 -3.400 1.00 0.00 O ATOM 136 CB TYR A 10 -2.177 1.031 -3.409 1.00 0.00 C ATOM 137 CG TYR A 10 -2.943 -0.247 -3.178 1.00 0.00 C ATOM 138 CD1 TYR A 10 -2.319 -1.478 -3.324 1.00 0.00 C ATOM 139 CD2 TYR A 10 -4.290 -0.228 -2.838 1.00 0.00 C ATOM 140 CE1 TYR A 10 -3.013 -2.655 -3.137 1.00 0.00 C ATOM 141 CE2 TYR A 10 -4.990 -1.399 -2.645 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.348 -2.610 -2.797 1.00 0.00 C ATOM 143 OH TYR A 10 -5.046 -3.779 -2.611 1.00 0.00 O ATOM 0 H TYR A 10 -3.024 2.169 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.748 0.566 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.887 1.836 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.572 0.919 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.273 -1.515 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.796 0.719 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.514 -3.605 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.036 -1.369 -2.376 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.416 -4.520 -2.489 1.00 0.00 H new ATOM 153 N GLU A 11 -0.473 3.718 -2.531 1.00 0.00 N ATOM 154 CA GLU A 11 0.465 4.743 -2.944 1.00 0.00 C ATOM 155 C GLU A 11 1.662 4.769 -2.006 1.00 0.00 C ATOM 156 O GLU A 11 2.788 4.485 -2.404 1.00 0.00 O ATOM 157 CB GLU A 11 -0.202 6.120 -2.955 1.00 0.00 C ATOM 158 CG GLU A 11 0.648 7.194 -3.614 1.00 0.00 C ATOM 159 CD GLU A 11 0.998 6.856 -5.047 1.00 0.00 C ATOM 160 OE1 GLU A 11 2.098 6.323 -5.286 1.00 0.00 O ATOM 161 OE2 GLU A 11 0.169 7.118 -5.946 1.00 0.00 O ATOM 0 H GLU A 11 -1.306 4.069 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 11 0.799 4.506 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.156 6.050 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.421 6.418 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.113 8.143 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.565 7.329 -3.041 1.00 0.00 H new ATOM 168 N GLN A 12 1.400 5.070 -0.745 1.00 0.00 N ATOM 169 CA GLN A 12 2.459 5.327 0.212 1.00 0.00 C ATOM 170 C GLN A 12 3.182 4.057 0.636 1.00 0.00 C ATOM 171 O GLN A 12 4.302 4.132 1.126 1.00 0.00 O ATOM 172 CB GLN A 12 1.894 6.051 1.434 1.00 0.00 C ATOM 173 CG GLN A 12 1.338 7.423 1.106 1.00 0.00 C ATOM 174 CD GLN A 12 2.389 8.515 1.122 1.00 0.00 C ATOM 175 OE1 GLN A 12 3.631 8.160 0.843 1.00 0.00 O flip ATOM 176 NE2 GLN A 12 2.085 9.677 1.398 1.00 0.00 N flip ATOM 0 H GLN A 12 0.458 5.142 -0.361 1.00 0.00 H new ATOM 0 HA GLN A 12 3.195 5.962 -0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.106 5.442 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.679 6.153 2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.871 7.392 0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.555 7.671 1.823 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.116 9.914 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.803 10.401 1.416 1.00 0.00 H new ATOM 185 N CYS A 13 2.563 2.899 0.431 1.00 0.00 N ATOM 186 CA CYS A 13 3.160 1.636 0.865 1.00 0.00 C ATOM 187 C CYS A 13 4.555 1.458 0.257 1.00 0.00 C ATOM 188 O CYS A 13 5.545 1.355 0.982 1.00 0.00 O ATOM 189 CB CYS A 13 2.249 0.446 0.506 1.00 0.00 C ATOM 190 SG CYS A 13 1.988 0.196 -1.280 1.00 0.00 S ATOM 0 H CYS A 13 1.657 2.806 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 13 3.264 1.665 1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.679 -0.463 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.280 0.591 0.984 1.00 0.00 H new ATOM 195 N ASN A 14 4.641 1.450 -1.066 1.00 0.00 N ATOM 196 CA ASN A 14 5.927 1.299 -1.736 1.00 0.00 C ATOM 197 C ASN A 14 6.756 2.579 -1.661 1.00 0.00 C ATOM 198 O ASN A 14 7.984 2.527 -1.696 1.00 0.00 O ATOM 199 CB ASN A 14 5.758 0.812 -3.188 1.00 0.00 C ATOM 200 CG ASN A 14 4.767 1.612 -4.031 1.00 0.00 C ATOM 201 OD1 ASN A 14 4.752 2.929 -3.897 1.00 0.00 O flip ATOM 202 ND2 ASN A 14 4.041 1.036 -4.838 1.00 0.00 N flip ATOM 0 H ASN A 14 3.843 1.545 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 14 6.481 0.527 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.731 0.837 -3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.437 -0.230 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.074 0.020 -4.919 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.405 1.574 -5.427 1.00 0.00 H new ATOM 209 N VAL A 15 6.088 3.727 -1.551 1.00 0.00 N ATOM 210 CA VAL A 15 6.788 5.004 -1.440 1.00 0.00 C ATOM 211 C VAL A 15 7.571 5.066 -0.133 1.00 0.00 C ATOM 212 O VAL A 15 8.705 5.552 -0.105 1.00 0.00 O ATOM 213 CB VAL A 15 5.827 6.214 -1.528 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.564 7.518 -1.235 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.170 6.288 -2.902 1.00 0.00 C ATOM 0 H VAL A 15 5.071 3.798 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 15 7.473 5.065 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 15 5.051 6.074 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.867 8.353 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.987 7.479 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.365 7.654 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.499 7.146 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.939 6.395 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.602 5.376 -3.083 1.00 0.00 H new ATOM 225 N ASN A 16 6.973 4.566 0.947 1.00 0.00 N ATOM 226 CA ASN A 16 7.669 4.514 2.228 1.00 0.00 C ATOM 227 C ASN A 16 8.819 3.525 2.125 1.00 0.00 C ATOM 228 O ASN A 16 9.975 3.937 2.033 1.00 0.00 O ATOM 229 CB ASN A 16 6.717 4.112 3.370 1.00 0.00 C ATOM 230 CG ASN A 16 5.631 5.140 3.642 1.00 0.00 C ATOM 231 OD1 ASN A 16 5.942 6.408 3.433 1.00 0.00 O flip ATOM 232 ND2 ASN A 16 4.519 4.795 4.048 1.00 0.00 N flip ATOM 0 H ASN A 16 6.022 4.197 0.961 1.00 0.00 H new ATOM 0 HA ASN A 16 8.053 5.507 2.460 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.250 3.158 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.298 3.959 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.315 3.807 4.198 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.803 5.498 4.234 1.00 0.00 H new ATOM 239 N LYS A 17 8.484 2.231 2.120 1.00 0.00 N ATOM 240 CA LYS A 17 9.404 1.155 1.737 1.00 0.00 C ATOM 241 C LYS A 17 8.758 -0.211 1.965 1.00 0.00 C ATOM 242 O LYS A 17 8.931 -0.806 3.030 1.00 0.00 O ATOM 243 CB LYS A 17 10.734 1.213 2.497 1.00 0.00 C ATOM 244 CG LYS A 17 11.886 1.758 1.656 1.00 0.00 C ATOM 245 CD LYS A 17 13.196 1.748 2.432 1.00 0.00 C ATOM 246 CE LYS A 17 14.295 2.471 1.669 1.00 0.00 C ATOM 247 NZ LYS A 17 13.997 3.918 1.502 1.00 0.00 N ATOM 0 H LYS A 17 7.557 1.898 2.384 1.00 0.00 H new ATOM 0 HA LYS A 17 9.617 1.298 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.612 1.838 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.989 0.212 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.993 1.159 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.657 2.776 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.050 2.223 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.500 0.719 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.241 2.354 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.419 2.011 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.871 4.427 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.302 4.043 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.608 4.297 2.389 1.00 0.00 H new ATOM 261 N VAL A 18 8.006 -0.713 0.988 1.00 0.00 N ATOM 262 CA VAL A 18 7.496 -2.078 1.062 1.00 0.00 C ATOM 263 C VAL A 18 7.474 -2.679 -0.340 1.00 0.00 C ATOM 264 O VAL A 18 7.254 -1.965 -1.322 1.00 0.00 O ATOM 265 CB VAL A 18 6.059 -2.182 1.677 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.859 -1.207 2.829 1.00 0.00 C ATOM 267 CG2 VAL A 18 4.987 -2.001 0.615 1.00 0.00 C ATOM 0 H VAL A 18 7.739 -0.202 0.146 1.00 0.00 H new ATOM 0 HA VAL A 18 8.166 -2.625 1.726 1.00 0.00 H new ATOM 0 HB VAL A 18 5.961 -3.188 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.849 -1.314 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.582 -1.421 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.003 -0.187 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.002 -2.079 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.095 -1.020 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.094 -2.774 -0.146 1.00 0.00 H new ATOM 277 N PRO A 19 7.748 -3.983 -0.455 1.00 0.00 N ATOM 278 CA PRO A 19 7.564 -4.717 -1.708 1.00 0.00 C ATOM 279 C PRO A 19 6.091 -4.735 -2.121 1.00 0.00 C ATOM 280 O PRO A 19 5.212 -4.636 -1.261 1.00 0.00 O ATOM 281 CB PRO A 19 8.043 -6.139 -1.381 1.00 0.00 C ATOM 282 CG PRO A 19 8.858 -6.007 -0.139 1.00 0.00 C ATOM 283 CD PRO A 19 8.287 -4.835 0.611 1.00 0.00 C ATOM 0 HA PRO A 19 8.109 -4.265 -2.537 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.199 -6.812 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.635 -6.551 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.806 -6.916 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.909 -5.843 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.510 -5.145 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.051 -4.318 1.192 1.00 0.00 H new ATOM 291 N PHE A 20 5.810 -4.861 -3.415 1.00 0.00 N ATOM 292 CA PHE A 20 4.426 -4.834 -3.891 1.00 0.00 C ATOM 293 C PHE A 20 3.595 -5.923 -3.212 1.00 0.00 C ATOM 294 O PHE A 20 2.460 -5.678 -2.799 1.00 0.00 O ATOM 295 CB PHE A 20 4.354 -4.992 -5.415 1.00 0.00 C ATOM 296 CG PHE A 20 2.981 -4.735 -5.970 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.074 -5.771 -6.133 1.00 0.00 C ATOM 298 CD2 PHE A 20 2.596 -3.451 -6.322 1.00 0.00 C ATOM 299 CE1 PHE A 20 0.811 -5.530 -6.637 1.00 0.00 C ATOM 300 CE2 PHE A 20 1.333 -3.205 -6.827 1.00 0.00 C ATOM 301 CZ PHE A 20 0.440 -4.247 -6.985 1.00 0.00 C ATOM 0 H PHE A 20 6.511 -4.981 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 20 4.011 -3.861 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.062 -4.305 -5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.665 -6.001 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.358 -6.777 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.291 -2.633 -6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.114 -6.346 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.045 -2.200 -7.098 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.547 -4.058 -7.380 1.00 0.00 H new ATOM 311 N ASP A 21 4.177 -7.111 -3.070 1.00 0.00 N ATOM 312 CA ASP A 21 3.494 -8.223 -2.416 1.00 0.00 C ATOM 313 C ASP A 21 3.104 -7.866 -0.983 1.00 0.00 C ATOM 314 O ASP A 21 2.024 -8.232 -0.523 1.00 0.00 O ATOM 315 CB ASP A 21 4.353 -9.495 -2.432 1.00 0.00 C ATOM 316 CG ASP A 21 5.771 -9.277 -1.940 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.687 -9.195 -2.786 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.982 -9.198 -0.714 1.00 0.00 O ATOM 0 H ASP A 21 5.118 -7.328 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 21 2.583 -8.420 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.875 -10.254 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.386 -9.888 -3.448 1.00 0.00 H new ATOM 323 N GLN A 22 3.977 -7.139 -0.290 1.00 0.00 N ATOM 324 CA GLN A 22 3.679 -6.660 1.054 1.00 0.00 C ATOM 325 C GLN A 22 2.542 -5.644 1.021 1.00 0.00 C ATOM 326 O GLN A 22 1.661 -5.654 1.883 1.00 0.00 O ATOM 327 CB GLN A 22 4.917 -6.033 1.693 1.00 0.00 C ATOM 328 CG GLN A 22 4.635 -5.410 3.049 1.00 0.00 C ATOM 329 CD GLN A 22 4.176 -6.425 4.079 1.00 0.00 C ATOM 330 OE1 GLN A 22 4.560 -7.592 4.036 1.00 0.00 O ATOM 331 NE2 GLN A 22 3.344 -5.985 5.012 1.00 0.00 N ATOM 0 H GLN A 22 4.897 -6.869 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 22 3.371 -7.516 1.655 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.688 -6.796 1.803 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.317 -5.270 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.536 -4.915 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.871 -4.641 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.049 -5.009 5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.999 -6.623 5.729 1.00 0.00 H new ATOM 340 N CYS A 23 2.559 -4.772 0.020 1.00 0.00 N ATOM 341 CA CYS A 23 1.495 -3.780 -0.136 1.00 0.00 C ATOM 342 C CYS A 23 0.164 -4.494 -0.337 1.00 0.00 C ATOM 343 O CYS A 23 -0.857 -4.114 0.239 1.00 0.00 O ATOM 344 CB CYS A 23 1.776 -2.830 -1.318 1.00 0.00 C ATOM 345 SG CYS A 23 0.694 -1.366 -1.367 1.00 0.00 S ATOM 0 H CYS A 23 3.289 -4.729 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 23 1.454 -3.174 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.814 -2.500 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.663 -3.384 -2.250 1.00 0.00 H new ATOM 350 N TYR A 24 0.201 -5.563 -1.123 1.00 0.00 N ATOM 351 CA TYR A 24 -0.972 -6.388 -1.372 1.00 0.00 C ATOM 352 C TYR A 24 -1.422 -7.105 -0.092 1.00 0.00 C ATOM 353 O TYR A 24 -2.593 -7.435 0.070 1.00 0.00 O ATOM 354 CB TYR A 24 -0.659 -7.413 -2.469 1.00 0.00 C ATOM 355 CG TYR A 24 -1.868 -8.161 -2.967 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.269 -9.345 -2.370 1.00 0.00 C ATOM 357 CD2 TYR A 24 -2.605 -7.680 -4.037 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.373 -10.032 -2.824 1.00 0.00 C ATOM 359 CE2 TYR A 24 -3.713 -8.359 -4.497 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.093 -9.535 -3.888 1.00 0.00 C ATOM 361 OH TYR A 24 -5.195 -10.220 -4.349 1.00 0.00 O ATOM 0 H TYR A 24 1.043 -5.881 -1.604 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.786 -5.742 -1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.190 -6.900 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.068 -8.130 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.707 -9.736 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.307 -6.760 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.672 -10.955 -2.349 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.280 -7.971 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.590 -9.734 -5.103 1.00 0.00 H new ATOM 371 N GLN A 25 -0.505 -7.337 0.829 1.00 0.00 N ATOM 372 CA GLN A 25 -0.856 -8.047 2.051 1.00 0.00 C ATOM 373 C GLN A 25 -1.520 -7.110 3.049 1.00 0.00 C ATOM 374 O GLN A 25 -2.345 -7.531 3.857 1.00 0.00 O ATOM 375 CB GLN A 25 0.366 -8.720 2.691 1.00 0.00 C ATOM 376 CG GLN A 25 0.888 -9.925 1.898 1.00 0.00 C ATOM 377 CD GLN A 25 -0.223 -10.868 1.479 1.00 0.00 C ATOM 378 OE1 GLN A 25 -0.789 -10.737 0.393 1.00 0.00 O ATOM 379 NE2 GLN A 25 -0.555 -11.815 2.337 1.00 0.00 N ATOM 0 H GLN A 25 0.472 -7.052 0.760 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.563 -8.830 1.776 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.166 -7.986 2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.106 -9.044 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.415 -9.572 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.613 -10.469 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.063 -11.892 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.303 -12.470 2.110 1.00 0.00 H new ATOM 388 N MET A 26 -1.157 -5.841 2.994 1.00 0.00 N ATOM 389 CA MET A 26 -1.714 -4.858 3.907 1.00 0.00 C ATOM 390 C MET A 26 -2.963 -4.179 3.331 1.00 0.00 C ATOM 391 O MET A 26 -4.019 -4.165 3.965 1.00 0.00 O ATOM 392 CB MET A 26 -0.639 -3.820 4.251 1.00 0.00 C ATOM 393 CG MET A 26 -1.155 -2.586 4.983 1.00 0.00 C ATOM 394 SD MET A 26 0.159 -1.401 5.350 1.00 0.00 S ATOM 395 CE MET A 26 0.875 -1.133 3.727 1.00 0.00 C ATOM 0 H MET A 26 -0.480 -5.467 2.328 1.00 0.00 H new ATOM 0 HA MET A 26 -2.028 -5.373 4.814 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.124 -4.297 4.866 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.153 -3.502 3.329 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.919 -2.100 4.376 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.634 -2.893 5.913 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.069 -0.070 3.586 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.810 -1.687 3.646 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.181 -1.479 2.961 1.00 0.00 H new ATOM 405 N CYS A 27 -2.847 -3.636 2.124 1.00 0.00 N ATOM 406 CA CYS A 27 -3.898 -2.781 1.570 1.00 0.00 C ATOM 407 C CYS A 27 -5.036 -3.577 0.924 1.00 0.00 C ATOM 408 O CYS A 27 -6.172 -3.103 0.880 1.00 0.00 O ATOM 409 CB CYS A 27 -3.303 -1.806 0.548 1.00 0.00 C ATOM 410 SG CYS A 27 -1.851 -0.882 1.158 1.00 0.00 S ATOM 0 H CYS A 27 -2.042 -3.770 1.512 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.326 -2.230 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.018 -2.362 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.073 -1.095 0.249 1.00 0.00 H new ATOM 415 N SER A 28 -4.752 -4.771 0.416 1.00 0.00 N ATOM 416 CA SER A 28 -5.782 -5.556 -0.259 1.00 0.00 C ATOM 417 C SER A 28 -6.879 -6.044 0.702 1.00 0.00 C ATOM 418 O SER A 28 -8.058 -5.866 0.401 1.00 0.00 O ATOM 419 CB SER A 28 -5.165 -6.702 -1.059 1.00 0.00 C ATOM 420 OG SER A 28 -4.174 -6.199 -1.937 1.00 0.00 O ATOM 0 H SER A 28 -3.833 -5.212 0.456 1.00 0.00 H new ATOM 0 HA SER A 28 -6.279 -4.891 -0.966 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.725 -7.434 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.939 -7.218 -1.627 1.00 0.00 H new ATOM 0 HG SER A 28 -3.689 -6.946 -2.345 1.00 0.00 H new ATOM 426 N PRO A 29 -6.543 -6.656 1.867 1.00 0.00 N ATOM 427 CA PRO A 29 -7.556 -7.009 2.878 1.00 0.00 C ATOM 428 C PRO A 29 -8.370 -5.796 3.337 1.00 0.00 C ATOM 429 O PRO A 29 -9.494 -5.933 3.818 1.00 0.00 O ATOM 430 CB PRO A 29 -6.728 -7.569 4.038 1.00 0.00 C ATOM 431 CG PRO A 29 -5.495 -8.089 3.385 1.00 0.00 C ATOM 432 CD PRO A 29 -5.198 -7.117 2.269 1.00 0.00 C ATOM 0 HA PRO A 29 -8.291 -7.712 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.496 -6.797 4.771 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.263 -8.359 4.565 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -4.667 -8.142 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -5.649 -9.097 2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.572 -6.291 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.672 -7.597 1.444 1.00 0.00 H new ATOM 440 N LEU A 30 -7.788 -4.614 3.181 1.00 0.00 N ATOM 441 CA LEU A 30 -8.460 -3.356 3.492 1.00 0.00 C ATOM 442 C LEU A 30 -9.525 -3.089 2.431 1.00 0.00 C ATOM 443 O LEU A 30 -10.717 -2.983 2.728 1.00 0.00 O ATOM 444 CB LEU A 30 -7.420 -2.213 3.501 1.00 0.00 C ATOM 445 CG LEU A 30 -7.831 -0.864 4.132 1.00 0.00 C ATOM 446 CD1 LEU A 30 -6.724 0.160 3.912 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.138 -0.328 3.560 1.00 0.00 C ATOM 0 H LEU A 30 -6.835 -4.499 2.835 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.933 -3.413 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.534 -2.571 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.124 -2.023 2.469 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.986 -1.037 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.015 1.111 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.804 -0.193 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.560 0.295 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.382 0.621 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.030 -0.177 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.938 -1.044 3.748 1.00 0.00 H new ATOM 459 N GLU A 31 -9.067 -2.994 1.194 1.00 0.00 N ATOM 460 CA GLU A 31 -9.921 -2.631 0.067 1.00 0.00 C ATOM 461 C GLU A 31 -10.975 -3.707 -0.185 1.00 0.00 C ATOM 462 O GLU A 31 -12.173 -3.420 -0.239 1.00 0.00 O ATOM 463 CB GLU A 31 -9.047 -2.408 -1.185 1.00 0.00 C ATOM 464 CG GLU A 31 -9.762 -1.762 -2.379 1.00 0.00 C ATOM 465 CD GLU A 31 -10.716 -2.695 -3.097 1.00 0.00 C ATOM 466 OE1 GLU A 31 -10.259 -3.727 -3.631 1.00 0.00 O ATOM 467 OE2 GLU A 31 -11.924 -2.386 -3.148 1.00 0.00 O ATOM 0 H GLU A 31 -8.094 -3.165 0.939 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.448 -1.706 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.199 -1.782 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.643 -3.370 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.315 -0.889 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.015 -1.405 -3.088 1.00 0.00 H new ATOM 474 N ARG A 32 -10.532 -4.947 -0.297 1.00 0.00 N ATOM 475 CA ARG A 32 -11.418 -6.032 -0.686 1.00 0.00 C ATOM 476 C ARG A 32 -11.373 -7.160 0.342 1.00 0.00 C ATOM 477 O ARG A 32 -10.437 -7.958 0.368 1.00 0.00 O ATOM 478 CB ARG A 32 -11.027 -6.551 -2.084 1.00 0.00 C ATOM 479 CG ARG A 32 -12.015 -7.555 -2.697 1.00 0.00 C ATOM 480 CD ARG A 32 -13.407 -6.960 -2.916 1.00 0.00 C ATOM 481 NE ARG A 32 -13.388 -5.502 -3.069 1.00 0.00 N ATOM 482 CZ ARG A 32 -14.471 -4.731 -2.960 1.00 0.00 C ATOM 483 NH1 ARG A 32 -15.662 -5.280 -2.742 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.363 -3.415 -3.065 1.00 0.00 N ATOM 0 H ARG A 32 -9.567 -5.228 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.440 -5.655 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.930 -5.700 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.046 -7.021 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.622 -7.908 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.095 -8.424 -2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.852 -7.408 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.046 -7.223 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.495 -5.051 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.749 -6.293 -2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.489 -4.688 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.451 -2.990 -3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.192 -2.827 -2.981 1.00 0.00 H new ATOM 498 N SER A 33 -12.384 -7.208 1.194 1.00 0.00 N ATOM 499 CA SER A 33 -12.473 -8.247 2.214 1.00 0.00 C ATOM 500 C SER A 33 -13.484 -9.310 1.794 1.00 0.00 C ATOM 501 CB SER A 33 -12.870 -7.647 3.571 1.00 0.00 C ATOM 502 OG SER A 33 -12.099 -6.493 3.859 1.00 0.00 O ATOM 0 H SER A 33 -13.156 -6.541 1.202 1.00 0.00 H new ATOM 0 HA SER A 33 -11.492 -8.710 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.929 -7.389 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.728 -8.389 4.357 1.00 0.00 H new ATOM 0 HG SER A 33 -11.150 -6.687 3.708 1.00 0.00 H new TER 508 SER A 33